N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine

C12H16N6OS — CID 80887629

IUPACN-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C)nc(Sc2ncccn2)n1
InChIInChI=1S/C12H16N6OS/c1-4-13-9-16-10(19-8(2)3)18-12(17-9)20-11-14-6-5-7-15-11/h5-8H,4H2,1-3H3,(H,13,16,17,18)
InChIKeyXRUQNGDAIHEIMA-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.03
Rot. Bonds6

About N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine

N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80887629) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80887629
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC NameN-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C)nc(Sc2ncccn2)n1
InChIInChI=1S/C12H16N6OS/c1-4-13-9-16-10(19-8(2)3)18-12(17-9)20-11-14-6-5-7-15-11/h5-8H,4H2,1-3H3,(H,13,16,17,18)
InChIKeyXRUQNGDAIHEIMA-UHFFFAOYSA-N
XLogP2.03
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928369
4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80872353
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
4-(3-chlorophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883029
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332
methyl 2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886619
[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80928634
4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814989
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80887629) is N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine is CCNc1nc(OC(C)C)nc(Sc2ncccn2)n1.
What is the InChIKey of N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is XRUQNGDAIHEIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-4-13-9-16-10(19-8(2)3)18-12(17-9)20-11-14-6-5-7-15-11/h5-8H,4H2,1-3H3,(H,13,16,17,18).
What are the key properties of N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine?
N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 292.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).